chempirical

5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)picolinonitrile

C12H15BN2O2CAS 741709-63-7230.07 g/mol

Open in Covalent MOL file
OBNNO
Boronic esterNitrile

Properties

Molecular formula
C12H15BN2O2
Molar mass
230.07 g/mol
Exact mass
230.1227 Da
logP
1.25Crippen estimate
Polar surface area
55.1 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
1

Identifiers

CAS number
741709-63-7
SMILES
CC1(C)OB(c2ccc(C#N)nc2)OC1(C)C
InChIKey
IXTBQKLZPOYJFJ-UHFFFAOYSA-N
InChI
InChI=1S/C12H15BN2O2/c1-11(2)12(3,4)17-13(16-11)9-5-6-10(7-14)15-8-9/h5-6,8H,1-4H3

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Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names
  • 2-Pyridinecarbonitrile, 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
  • 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinecarbonitrile
  • 2-Cyano-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
  • (2-Cyanopyridin-5-yl)boronic acid pinacol ester
  • 5-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)pyridine-2-carbonitrile
  • 6-Cyano-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
  • 2-(2-Cyanopyridin-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
  • 2-Cyanopyridine-5-boronic acid pinacol ester

Work with 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)picolinonitrile

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile171364-82-259 % similar 2-Phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine879291-27-756 % similar 2-Methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine445264-61-955 % similar 2-Chloropyrimidine-5-boronic acid pinacol ester1003845-08-650 % similar (3-Cyanophenyl)boronic acid pinacol ester214360-46-050 % similar 2-(2-Methyl-2H-tetrazol-5-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine1056039-83-845 % similar 5-Methyl-2-pyridinecarbonitrile1620-77-545 % similar 2,4-Diphenyl-6-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-1,3,5-triazine1219956-23-644 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

5-Cyanopyridine-2-boronic acid pinacol ester1073353-83-9 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)picolinonitrile741709-62-6 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinecarbonitrile878194-92-4

Elsewhere

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